Hi everyone. What is the meaning of trust_radius_ini, trust_radius_max, trust_radius_min?
I am supposing that: if trust_radius_ini = 1.d-2 then QE moves all the atoms of the unit cell in 0.00529 A in a random way. And after the QE calculates the forces and the new displacements? and if the displacement of one atom (d_a) is greater than "trust_radius_max" then QE makes that "d_a=trust_radius_max" in the direction of the force. I didn't found this information in the web. Please someone can help me? Best Regards. Mgter. R. M. Guzmán A. Insituto Balseiro. Argentina. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
